4-bromo-1-[(4-ethylphenyl)methyl]piperidine

C14H20BrN — CID 80679591

IUPAC4-bromo-1-[(4-ethylphenyl)methyl]piperidine
SMILESCCc1ccc(CN2CCC(Br)CC2)cc1
InChIInChI=1S/C14H20BrN/c1-2-12-3-5-13(6-4-12)11-16-9-7-14(15)8-10-16/h3-6,14H,2,7-11H2,1H3
InChIKeyBRHUSBKJFOAWQS-UHFFFAOYSA-N
MW282.23 g/mol
LogP3.61
Rot. Bonds3

About 4-bromo-1-[(4-ethylphenyl)methyl]piperidine

4-bromo-1-[(4-ethylphenyl)methyl]piperidine (PubChem CID 80679591) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 4-bromo-1-[(4-ethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-bromo-1-[(4-ethylphenyl)methyl]piperidine
PubChem CID80679591
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name4-bromo-1-[(4-ethylphenyl)methyl]piperidine
SMILESCCc1ccc(CN2CCC(Br)CC2)cc1
InChIInChI=1S/C14H20BrN/c1-2-12-3-5-13(6-4-12)11-16-9-7-14(15)8-10-16/h3-6,14H,2,7-11H2,1H3
InChIKeyBRHUSBKJFOAWQS-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-1-[(4-ethylphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
4-bromo-1-[(4-chlorophenyl)methyl]piperidine
CID 80679127
3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
4-bromo-1-[(3,5-dimethylphenyl)methyl]piperidine
CID 80679343
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane
CID 106900686
1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-ethylphenyl)methyl]piperidine?
The IUPAC name of 4-bromo-1-[(4-ethylphenyl)methyl]piperidine (CID 80679591) is 4-bromo-1-[(4-ethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-bromo-1-[(4-ethylphenyl)methyl]piperidine?
The canonical SMILES for 4-bromo-1-[(4-ethylphenyl)methyl]piperidine is CCc1ccc(CN2CCC(Br)CC2)cc1.
What is the InChIKey of 4-bromo-1-[(4-ethylphenyl)methyl]piperidine?
The InChIKey is BRHUSBKJFOAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-12-3-5-13(6-4-12)11-16-9-7-14(15)8-10-16/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 4-bromo-1-[(4-ethylphenyl)methyl]piperidine?
4-bromo-1-[(4-ethylphenyl)methyl]piperidine has a molecular weight of 282.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-ethylphenyl)methyl]piperidine is sourced from PubChem (CID 80679591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).